Notoryne (CHEBI:202160)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Notoryne

ChEBI ID	CHEBI:202160

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20BrClO2

Net Charge

Average Mass

347.680

Monoisotopic Mass

346.03352

InChI

InChI=1S/C15H20BrClO2/c1-3-5-6-7-13-11(17)9-15(19-13)14-8-10(16)12(4-2)18-14/h1,5-6,10-15H,4,7-9H2,2H3/b6-5-/t10-,11-,12+,13+,14-,15+/m0/s1

InChIKey

UEYIDOJUVGQGFO-QGWUDCLISA-N

SMILES

Br[C@@H]1[C@H](O[C@@H](C1)[C@@H]2O[C@H](C/C=C\C#C)[C@H](C2)Cl)CC

ChEBI Ontology
Outgoing	Notoryne (CHEBI:202160) is a oxolanes (CHEBI:26912)

IUPAC Name

(2R,3S,5S)-3-bromo-5-[(2R,4S,5R)-4-chloro-5-[(Z)-pent-2-en-4-ynyl]oxolan-2-yl]-2-ethyloxolane